bicylo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxydiimide | 6787-63-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: bicylo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxydiimide
• 英文别名: bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxydiimide；4,10-Diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
• CAS: 6787-63-9；121155-94-0
• 化学式: C₁₂H₁₀N₂O₄
• 分子量: 246.222
• InChiKey: QTZADOOBSBOMLI-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 沸点：
  602.8±55.0 °C(Predicted)
• 密度：
  1.512±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bicylo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxydiimide 在 sodium hydroxide 、 sodium hypochlorite 、 水 、 sodium thiosulfate 、 盐酸 作用下， 以 水 为溶剂， 反应 4.0h， 生成 diaminobicyclo[2.2.2]oct-7-enedicarboxylic acid dihydrochloride
  参考文献：
  名称：

  EP1460058

  摘要：

  公开号：
• 作为产物：
  描述：

  双环[2.2.2]辛-7-烯-2,3,5,6-四羧酸二酐 在 氨 、 盐酸 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 、 乙酸乙酯 为溶剂， 反应 1.75h， 生成 bicylo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxydiimide
  参考文献：
  名称：

  EP1460058

  摘要：

  公开号：

文献信息

• An unusual three-dimensional self-penetrating network derived from cross-linking of two-fold interpenetrating nets via ligand-unsupported Ag–Ag bonds: synthesis, structure, luminescence, and theoretical study
  作者：Xue-Zhi Song、Chao Qin、Wei Guan、Shu-Yan Song、Hong-Jie Zhang

  DOI：10.1039/c2nj20888a

  日期：——

  A novel coordination polymer Ag4L2(4,4′-bpy)(H2O)2·6H2O (1) (H2L = bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxydiimide, 4,4′-bpy = 4,4′-bipyridine) has been synthesized and characterized by IR spectroscopy, elemental analysis, X-ray powder diffraction and single-crystal X-ray diffraction. Compound 1 exhibits a two-fold interpenetrated array. Remarkably, adjacent sets of 2D interpenetrating sheets are ultimately cross-linked into an unusual three-dimensional self-penetrating network when ligand-unsupported Ag–Ag bonds are taken into account. Theoretical computational methods were applied to further identify argentophilic interactions in this structure. Additionally, thermal stability analysis and luminescent property of this compound are also studied in this paper.

  我们合成了一种新型配位聚合物 Ag4L2(4,4â²-bpy)(H2O)2Â-6H2O (1)（H2L = 双环[2.2.2]辛-7-烯-2,3,5,6-四羧基二亚胺，4,4â²-bpy = 4,4â²-联吡啶），并利用红外光谱、元素分析、X 射线粉末衍射和单晶 X 射线衍射对其进行了表征。化合物 1 呈现出两倍互穿阵列。值得注意的是，如果考虑到配体不支持的 AgâAg 键，相邻的二维互穿片组最终会交联成不寻常的三维自穿网络。应用理论计算方法进一步确定了这种结构中的亲氩相互作用。此外，本文还研究了该化合物的热稳定性分析和发光特性。
• N-Substituted Imides As Polymerization Initiators
  申请人：Nesvadba Peter

  公开号：US20080132600A1

  公开（公告）日：2008-06-05

  The invention relates to novel N-substituted imides and polymerizable compositions comprising these N-substituted imides. The invention further relates to the use of N-substituted imides as polymerization initiators. The imides are compounds of the formula (I) and (II) wherein n is 1 or 2; m is 1 or 2; R 1 and R 2 are each, independently of one another, hydrogen, C 1 -C 18 alkyl, C 1 -C 18 alkenyl C 6 -C 14 aryl, aralkyl, C 5 -C 12 cycloalkyl, each of which may be substituted by halogen, C 1 -C 4 -alkyl, hydroxy, C 1 -C 6 alkoxy, carbonyl, C 1 -C 6 alkoxycarbonyl; or R 1 and R 2 together with the adjacent —CO—N—CO— group may form a monocyclic, bicyclic or polycyclic ring, said ring having up to 50 non hydrogen atoms and wherein said ring may contain the structural element (formula III) more than once; R 3 if n is 1, is C 1 -C 18 alkyl, C 6 -C 14 aryl, aralkyl, C 5 -C 12 cycloalkyl, OR 10 or SR 11 , NR 12 R 13 ; wherein R 3 if n is 2, is C 2 -C 12 alkylene, C 6 -C 14 arylene, xylylene R 4 and R 5 , correspond to R 1 and R 2 ; R 6 if n is 1, is hydrogen, C 1 -C 18 alkyl, C 6 -C 14 aryl, aralkyl, C 5 -C 12 cycloalkyl, NR 14 R 15 ; wherein R 6 if n is 2, is C 2 -C 12 alkylene, C 6 -C 14 arylene, xylylene; R 7 is hydrogen, C 1 -C 18 alkyl, C 6 -C 14 aryl, aralkyl, C 5 -C 12 cycloalkyl, each of which may be substituted by halogen, C 1 -C 4 -alkyl, hydroxy, C 1 -C 6 alkoxy, carbonyl, C 1 -C 6 alkoxy-carbonyl; or R 7 and R 14 or R 7 and R 15 form together with the N-atom attached to R 7 a 5-6 membered ring, optionally interrupted by —NH—, —N(C 1 -C 8 alkyl)-, —O- and/or S-atoms.

  本发明涉及新型N-取代酰亚胺和包含这些N-取代酰亚胺的可聚合组合物。本发明还涉及将N-取代酰亚胺用作聚合引发剂。该酰亚胺是具有以下结构式(I)和(II)的化合物，其中n为1或2；m为1或2；R1和R2各自独立地为氢、C1-C18烷基、C1-C18烯基、C6-C14芳基、芳基烷基、C5-C12环烷基，这些基团均可被卤素、C1-C4烷基、羟基、C1-C6烷氧基、羰基、C1-C6烷氧羰基取代；或者R1和R2与相邻的—CO—N—CO—基团一起形成单环、双环或多环环，该环具有高达50个非氢原子，且该环可能包含结构元素(式III)超过一次；如果n为1，则R3为C1-C18烷基、C6-C14芳基、芳基烷基、C5-C12环烷基、OR10或SR11、NR12R13；如果n为2，则R3为C2-C12烷基、C6-C14芳基、二甲苯基，R4和R5与R1和R2对应；如果n为1，则R6为氢、C1-C18烷基、C6-C14芳基、芳基烷基、C5-C12环烷基、NR14R15；如果n为2，则R6为C2-C12烷基、C6-C14芳基、二甲苯基；R7为氢、C1-C18烷基、C6-C14芳基、芳基烷基、C5-C12环烷基，这些基团均可被卤素、C1-C4烷基、羟基、C1-C6烷氧基、羰基、C1-C6烷氧羰基取代；或者R7和R14或R7和R15一起形成与连接到R7的N原子相连的5-6成员环，该环可以由—NH—、—N(C1-C8烷基)-、—O-和/或S原子中断。
• Preparation of N-chloroimides and a novel N-chloroimide
  申请人：ELI LILLY AND COMPANY

  公开号：EP0003258A1

  公开（公告）日：1979-08-08

  A process for preparing N-chloroimides comprising contacting the corresponding imide with molecular chlorine under substantially anhydrous conditions in the presence of an epoxy compound and a tertiary amine. The novel N-chloroimide N,N'-dichloro-bicyclo(2.2.2)oct-7-ene-2,3,5,6-tetracarboxylic-2,3,5,6-diimide is prepared.

  一种制备 N-氯亚胺的工艺，包括在环氧化合物和叔胺存在下，在基本无水的条件下，使相应的亚胺与分子氯接触。 制备出新型 N-氯亚胺 N,N'-二氯双环(2.2.2)辛-7-烯-2,3,5,6-四羧酸-2,3,5,6-二亚胺。
• Fischer; Moller; Budnowski, Arzneimittel-Forschung/Drug Research, 1984, vol. 34, # 6, p. 663 - 668
  作者：Fischer、Moller、Budnowski、et al.

  DOI：——

  日期：——
• DEUTSCH H. M.; GELBAUM L. T.; MCLAUGHLIN M.; FLEISCHMANN T. J.; EARNHART +, J. MED. CHEM., 29,(1986) N 11, 2164-2170
  作者：DEUTSCH H. M.、 GELBAUM L. T.、 MCLAUGHLIN M.、 FLEISCHMANN T. J.、 EARNHART +

  DOI：——

  日期：——